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2-Propenoic acid, 3-[(1,1-dimethylethyl)thio]-, methyl ester
SpectraBase Compound ID 4Rz5mgoIVah
InChI InChI=1S/C8H14O2S/c1-8(2,3)11-6-5-7(9)10-4/h5-6H,1-4H3/b6-5+
InChIKey ZXGWAWBFPNWHRV-AATRIKPKSA-N
Mol Weight 174.26 g/mol
Molecular Formula C8H14O2S
Exact Mass 174.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0N88KzGVfs
Name 2-Propenoic acid, 3-[(1,1-dimethylethyl)thio]-, methyl ester
CAS Registry Number 50838-20-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2S
InChI InChI=1S/C8H14O2S/c1-8(2,3)11-6-5-7(9)10-4/h5-6H,1-4H3/b6-5+
InChIKey ZXGWAWBFPNWHRV-AATRIKPKSA-N
Molecular Weight 174.258 g/mol
SMILES COC(=O)\C=C\SC(C)(C)C
SPLASH splash10-0a6r-9100000000-7be66939acba918796f0
Source of Spectrum O-7-1133-18
Synonyms Methyl (2E)-3-(tert-butylsulfanyl)-2-propenoate (E)-3-(tert-butylthio)-2-propenoic acid methyl ester (E)-3-(tert-butylthio)acrylic acid methyl ester Methyl (E)-3-tert-butylsulfanylprop-2-enoate Methyl 3-(tert-butylthio)acrylate
Wiley ID 1170221